SCHEMBL28867918

SCHEMBL28867918

CN(C(=O)c1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
KDM4E B2RXH2 1/20 0.64
HTT P42858 2/20 0.63
NR1H3 Q13133 2/20 0.58
EGFR P00533 1/20 0.58
ERBB2 P04626 1/20 0.58
MAOA P21397 1/20 0.56
PLAU P00749 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.52
ATM Q13315 1/20 0.51
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.50
NR1H2 P55055 1/20 0.50
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC4 P56524 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28867923 0.93 KDM4E (0.59) KMT2AKDM4EHTTNR1H3EGFR
SCHEMBL24669260 0.90 KDM4E (0.50) KMT2AKDM4EHTTNR1H3EGFR
SCHEMBL9001653 0.90 KMT2A (0.75) KMT2AKDM4EHTTNR1H3EGFR
SCHEMBL24891812 0.87 EGFR (0.49) KMT2AKDM4EHTTNR1H3EGFR
SCHEMBL493114 0.86 KMT2A (0.75) KMT2AKDM4EHTTNR1H3EGFR
SCHEMBL9567794 0.85 KMT2A (0.68) KMT2AKDM4EHTTNR1H3EGFR
SCHEMBL24891762 0.84 HSD17B1 (0.50) KMT2AKDM4EHTTEGFRERBB2
SCHEMBL11320493 0.83 KMT2A (0.66) KMT2AKDM4EHTTNR1H3EGFR
SCHEMBL22575409 0.83 HTT (0.70) KMT2AKDM4EHTTNR1H3EGFR
SCHEMBL257767 0.83 KMT2A (0.66) KMT2AKDM4EHTTNR1H3EGFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115057794-B Method for removing methylation of cerium catalytic oxidation amide by visible light induction 桂林理工大学 2023-11-17 CN disclosed
CN-115057794-A Novel method for removing methylation of cerium-induced catalytic oxidation amide by visible light 桂林理工大学 2022-09-16 CN disclosed